3AC2
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![BU of 3ac2 by Molmil](/molmil-images/mine/3ac2) | |
3AC8
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3AC3
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3A7E
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![BU of 3a7e by Molmil](/molmil-images/mine/3a7e) | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | 分子名称: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Tsuji, E. | 登録日 | 2009-09-26 | 公開日 | 2010-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs To be Published
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3AC1
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3AC5
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![BU of 3ac5 by Molmil](/molmil-images/mine/3ac5) | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 分子名称: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ... | 著者 | Tsuji, E. | 登録日 | 2009-12-28 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase To be Published
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2ZM4
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2ZTH
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2ZLB
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2ZVJ
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3ACJ
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2ZM1
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2ZYB
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3ACK
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![BU of 3ack by Molmil](/molmil-images/mine/3ack) | |
3AD4
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3AC4
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![BU of 3ac4 by Molmil](/molmil-images/mine/3ac4) | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 分子名称: | 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ... | 著者 | Tsuji, E. | 登録日 | 2009-12-28 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase To be Published
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3AD6
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3AD5
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3A7D
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![BU of 3a7d by Molmil](/molmil-images/mine/3a7d) | Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor | 分子名称: | 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Tsuji, E. | 登録日 | 2009-09-26 | 公開日 | 2010-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 2: Ligand Fishing using Mass Spectrometry by Detection of Ligand-Protein Non-Covalent Complex after Matrix Click Chemistry To be Published
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